Base information
| Cat. No. | |
| CAS No. | 146464-93-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C18H16N6O2 |
| Molecular Weight | 348.359 |
| Exact Mass | 348.133 |
| XLogP3 | 2.7944 |
| Mr | 97.7391 |
| PSA | 140.9 |
| Sequence | - |
| Atom number | 42 |
| Bond number | 44 |
| Ring number | 3 |
| Rotor number | 5 |
| Residues number | 0 |
| Canonical smiles | C#CCC(c1ccc(cc1)C(=O)O)Cc1cnc2c(n1)c(N)nc(n2)N |
